2-morpholin-4-ium-4-ylethyl 4-(6,7-dimethoxy-1-oxidanylidene-isoquinolin-2-yl)butanoate chloride

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 4-(6,7-dimethoxy-1-oxidanylidene-isoquinolin-2-yl)butanoate chloride Openeye Name: 2-morpholin-4-ium-4-ylethyl 4-(6,7-dimethoxy-1-oxo-2-isoquinolyl)butanoate chloride CAS Name: 4-(6,7-dimethoxy-1-oxo-2-isoquinolinyl)butanoic acid 2-(4-morpholin-4-iumyl)ethyl ester chloride IUPAC Name: 2-morpholin-4-ium-4-ylethyl 4-(6,7-dimethoxy-1-oxoisoquinolin-2-yl)butanoate chloride Traditional Name: 4-(1-keto-6,7-dimethoxy-2-isoquinolyl)butyric acid 2-morpholin-4-ium-4-ylethyl ester chloride Formula: C21H29ClN2O6 MolecularWeight: 440.91776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN(C2=O)CCCC(=O)OCC[NH+]3CCOCC3)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN(C2=O)CCCC(=O)OCC[NH+]3CCOCC3)OC.[Cl-]

InChI

InChI=1S/C21H28N2O6.ClH/c1-26-18-14-16-5-7-23(21(25)17(16)15-19(18)27-2)6-3-4-20(24)29-13-10-22-8-11-28-12-9-22;/h5,7,14-15H,3-4,6,8-13H2,1-2H3;1H